SCHEMBL6582881

SCHEMBL6582881

CCOc1ccc(C(=O)OC)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.54
KCNQ2 O43526 1/20 0.54
CREBBP Q92793 3/20 0.52
MAPK1 P28482 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.50
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15295180 0.88 PDE4D (0.53) KCNQ3KCNQ2MAPK1RAB9ALMNA
SCHEMBL6581244 0.87 LMNA (0.50) KCNQ3KCNQ2MAPK1RAB9ALMNA
SCHEMBL6509377 0.87 CA12 (0.54) KCNQ3KCNQ2CREBBPMAPK1RAB9A
SCHEMBL13125223 0.86 EGFR (0.50) KCNQ3KCNQ2MAPK1RAB9ALMNA
SCHEMBL9482843 0.86 MAPT (0.45) KCNQ3KCNQ2CREBBPMAPK1RAB9A
SCHEMBL14926440 0.85 THRA (0.62) MAPK1RAB9ALMNAHTTTAS1R3
SCHEMBL1808476 0.85 TSHR (0.63) CREBBPMAPK1RAB9ALMNATSHR
SCHEMBL25314928 0.84 RAB9A (0.47) MAPK1RAB9ALMNAHTTPDE4D
SCHEMBL4841298 0.84 LMNA (0.47) MAPK1RAB9ALMNAHTTTAS1R3
SCHEMBL25315062 0.84 MAPT (0.50) KCNQ3KCNQ2MAPK1RAB9ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1148357-C Triazole and imidazole derivative - 2004-05-05 CN disclosed
EP-1070708-B1 Triazole derivatives HOFFMANN LA ROCHE (CH) 2004-01-14 EP disclosed
US-6265426-B1 CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2001-07-24 US disclosed
CN-1281852-A Triazole and imidazole derivative HOFFMANN LA ROCHE (CH) 2001-01-31 CN disclosed
EP-1070708-A1 Triazole and imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-01-24 EP disclosed